==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-FEB-01 1I5N . COMPND 2 MOLECULE: CHEMOTAXIS PROTEIN CHEA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR L.MOUREY,S.DA RE,J.-D.PEDELACQ,T.TOLSTYK,C.FAURIE,V.GUILLET, . 507 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 82.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 5 2 4 4 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A D > 0 0 102 0, 0.0 3,-3.0 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -45.9 3.5 -4.6 40.0 2 5 A I G > + 0 0 66 1,-0.3 3,-1.7 2,-0.2 4,-0.0 0.773 360.0 69.5 -58.3 -22.2 1.4 -2.8 37.4 3 6 A S G > S+ 0 0 56 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.595 78.5 79.0 -71.6 -9.3 4.6 -2.9 35.4 4 7 A D G < S+ 0 0 102 -3,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.563 92.8 50.9 -74.7 -6.3 3.9 -6.6 35.1 5 8 A F G <> S+ 0 0 19 -3,-1.7 4,-0.9 -4,-0.1 -1,-0.3 0.293 86.0 87.5-111.9 7.5 1.5 -5.7 32.4 6 9 A Y H <> S+ 0 0 57 -3,-1.3 4,-3.0 2,-0.2 3,-0.5 0.935 77.3 61.9 -72.0 -50.4 3.8 -3.5 30.3 7 10 A Q H > S+ 0 0 32 -4,-0.5 4,-2.1 1,-0.3 5,-0.2 0.861 104.1 48.4 -45.2 -48.3 5.3 -6.2 28.1 8 11 A T H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.892 114.1 47.5 -63.2 -38.3 2.0 -7.2 26.5 9 12 A F H X S+ 0 0 0 -4,-0.9 4,-3.3 -3,-0.5 5,-0.2 0.952 109.0 52.7 -66.8 -48.7 1.2 -3.6 25.9 10 13 A F H X S+ 0 0 7 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.873 113.0 45.4 -53.5 -42.6 4.6 -2.8 24.3 11 14 A D H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.940 113.6 48.0 -68.9 -48.4 4.2 -5.8 21.9 12 15 A E H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.939 112.7 50.3 -56.0 -47.3 0.6 -4.8 21.0 13 16 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.898 108.1 51.1 -58.8 -46.0 1.6 -1.2 20.5 14 17 A D H X S+ 0 0 19 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.917 113.3 46.6 -57.7 -46.1 4.6 -2.1 18.2 15 18 A E H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 113.0 48.2 -62.9 -45.5 2.2 -4.3 16.1 16 19 A L H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.819 110.0 53.0 -66.9 -30.2 -0.4 -1.6 16.0 17 20 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.878 108.7 49.5 -72.3 -36.6 2.2 1.0 15.0 18 21 A A H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.931 112.7 47.3 -65.9 -44.7 3.3 -1.3 12.1 19 22 A D H X S+ 0 0 44 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.893 110.5 53.0 -61.1 -41.6 -0.3 -1.7 11.0 20 23 A X H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.920 108.9 49.6 -59.7 -46.4 -0.8 2.1 11.2 21 24 A E H X S+ 0 0 72 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 112.0 46.6 -59.7 -48.5 2.2 2.7 9.0 22 25 A Q H X S+ 0 0 98 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.907 113.4 48.1 -63.1 -44.1 1.1 0.3 6.3 23 26 A H H X S+ 0 0 52 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.918 111.7 51.0 -63.4 -41.7 -2.4 1.6 6.2 24 27 A L H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.937 109.6 49.9 -59.2 -47.0 -1.2 5.1 6.0 25 28 A L H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.782 112.9 47.4 -63.7 -28.2 1.1 4.2 3.2 26 29 A D H 3< S+ 0 0 78 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.575 86.6 114.8 -91.0 -9.2 -1.7 2.6 1.3 27 30 A L << - 0 0 12 -4,-1.0 3,-0.1 -3,-0.9 -3,-0.0 -0.331 59.1-145.5 -65.2 142.6 -4.2 5.4 1.8 28 31 A V > - 0 0 60 3,-0.2 3,-1.6 1,-0.2 52,-0.1 -0.906 15.5-152.1-106.8 96.8 -5.5 7.3 -1.2 29 32 A P T 3 S+ 0 0 22 0, 0.0 51,-0.5 0, 0.0 -1,-0.2 0.803 90.2 46.0 -38.3 -50.4 -5.8 10.8 0.3 30 33 A E T 3 S+ 0 0 152 1,-0.3 51,-0.0 49,-0.1 -3,-0.0 0.724 131.4 21.8 -72.8 -20.5 -8.6 12.1 -2.0 31 34 A S S < S- 0 0 80 -3,-1.6 -1,-0.3 2,-0.0 -3,-0.2 -0.379 82.0-171.7-144.0 60.7 -10.6 8.9 -1.7 32 35 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.345 32.6-113.4 -59.9 123.9 -9.5 7.2 1.6 33 36 A D >> - 0 0 81 1,-0.2 4,-2.0 -2,-0.1 3,-1.2 -0.436 21.9-139.9 -59.4 119.8 -11.0 3.7 2.0 34 37 A A H 3> S+ 0 0 64 -2,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.863 101.0 53.5 -50.5 -42.3 -13.3 4.0 4.9 35 38 A E H 3> S+ 0 0 153 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.767 108.3 50.6 -67.5 -26.4 -12.2 0.6 6.3 36 39 A Q H <> S+ 0 0 41 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.895 110.6 47.0 -78.6 -41.4 -8.6 1.6 6.2 37 40 A L H X S+ 0 0 6 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.894 108.7 56.3 -65.3 -41.4 -9.1 4.9 8.1 38 41 A N H X S+ 0 0 40 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.886 106.5 50.8 -58.7 -36.2 -11.2 3.0 10.6 39 42 A A H X S+ 0 0 32 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.880 110.1 48.3 -69.2 -38.0 -8.2 0.7 11.2 40 43 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.925 113.0 48.7 -65.8 -44.9 -5.8 3.5 11.7 41 44 A F H X S+ 0 0 20 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.907 111.3 49.6 -61.0 -45.2 -8.2 5.2 14.1 42 45 A R H X S+ 0 0 144 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.872 108.8 51.5 -65.1 -36.6 -8.7 2.0 16.1 43 46 A A H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.958 113.4 46.0 -63.6 -47.7 -5.0 1.4 16.4 44 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.922 112.0 50.4 -60.4 -45.3 -4.5 4.9 17.7 45 48 A H H X S+ 0 0 92 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.919 112.3 48.4 -59.9 -42.4 -7.5 4.6 20.1 46 49 A S H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 111.6 47.7 -64.1 -46.5 -6.1 1.3 21.4 47 50 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 110.4 54.0 -62.3 -40.2 -2.6 2.7 22.0 48 51 A K H X S+ 0 0 45 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.902 107.5 48.9 -60.6 -45.6 -4.0 5.7 23.7 49 52 A G H X S+ 0 0 36 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.900 112.0 48.5 -63.3 -41.4 -6.0 3.7 26.2 50 53 A G H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.923 110.7 51.7 -63.9 -41.6 -3.0 1.6 27.1 51 54 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.5 0.902 111.8 47.0 -61.6 -41.2 -0.9 4.7 27.5 52 55 A G H ><5S+ 0 0 42 -4,-2.5 3,-1.6 3,-0.2 -2,-0.2 0.963 108.5 54.4 -65.1 -50.7 -3.5 6.1 29.9 53 56 A T H 3<5S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.885 116.4 37.7 -50.3 -42.7 -3.8 2.9 31.9 54 57 A F T 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.368 111.4-113.4 -96.0 7.7 -0.0 2.9 32.5 55 58 A G T < 5 + 0 0 54 -3,-1.6 2,-1.6 -4,-0.5 -3,-0.2 0.853 57.1 156.3 67.3 34.5 0.6 6.6 33.0 56 59 A F >< + 0 0 13 -5,-2.6 4,-2.8 1,-0.2 3,-0.3 -0.618 17.8 179.1 -91.5 73.0 2.7 7.0 29.8 57 60 A T H > S+ 0 0 105 -2,-1.6 4,-2.5 1,-0.2 5,-0.3 0.874 70.5 48.2 -41.9 -60.0 1.8 10.7 29.7 58 61 A I H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 115.5 44.2 -56.1 -42.9 3.8 11.8 26.6 59 62 A L H > S+ 0 0 2 -3,-0.3 4,-3.0 1,-0.2 5,-0.3 0.936 112.3 53.6 -69.6 -42.0 2.5 8.9 24.5 60 63 A Q H X S+ 0 0 54 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.916 111.7 43.2 -56.7 -48.7 -1.1 9.4 25.7 61 64 A E H X S+ 0 0 45 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.905 114.5 50.7 -67.0 -41.6 -1.2 13.1 24.8 62 65 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.948 115.6 41.3 -60.9 -49.4 0.5 12.5 21.4 63 66 A T H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.838 109.7 61.2 -66.7 -34.5 -1.9 9.7 20.5 64 67 A H H X S+ 0 0 58 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.953 106.4 44.4 -57.2 -51.3 -4.8 11.7 21.9 65 68 A L H X S+ 0 0 18 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.874 114.4 48.9 -64.5 -37.4 -4.2 14.5 19.4 66 69 A X H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.929 108.6 54.4 -68.5 -42.4 -3.7 12.2 16.5 67 70 A E H X S+ 0 0 13 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.882 105.3 51.7 -56.6 -45.0 -6.9 10.2 17.4 68 71 A N H X S+ 0 0 75 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.892 112.0 48.3 -61.0 -37.8 -9.1 13.3 17.3 69 72 A L H X S+ 0 0 3 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.907 110.9 49.0 -69.4 -41.6 -7.7 14.1 13.9 70 73 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.811 108.2 55.6 -67.7 -29.0 -8.3 10.6 12.6 71 74 A D H X S+ 0 0 47 -4,-2.1 4,-2.2 -5,-0.2 6,-0.3 0.911 107.5 49.2 -68.8 -41.2 -11.8 10.8 14.0 72 75 A E H <>S+ 0 0 50 -4,-1.7 5,-2.1 1,-0.2 6,-1.2 0.947 113.5 46.2 -61.9 -48.2 -12.4 13.9 11.9 73 76 A A H <5S+ 0 0 8 -4,-2.3 3,-0.4 4,-0.2 -1,-0.2 0.855 113.6 47.5 -64.5 -36.6 -11.0 12.4 8.8 74 77 A R H <5S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.857 109.4 52.5 -76.1 -32.2 -13.0 9.1 9.2 75 78 A R T <5S- 0 0 154 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.548 117.2-117.6 -75.9 -6.2 -16.2 10.9 9.9 76 79 A G T 5S+ 0 0 63 -3,-0.4 -3,-0.2 -4,-0.4 -2,-0.1 0.566 84.7 118.8 81.4 9.0 -15.5 12.8 6.7 77 80 A E S - 0 0 60 -2,-0.2 4,-2.0 -51,-0.0 5,-0.2 -0.905 54.8 -80.9-163.1-178.7 -4.0 15.2 1.3 82 85 A T H > S+ 0 0 87 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.849 124.9 55.0 -67.0 -32.9 -0.3 14.1 1.0 83 86 A D H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 109.3 46.9 -64.0 -45.5 0.9 16.6 3.6 84 87 A I H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.935 111.9 50.0 -63.3 -45.8 -1.6 15.4 6.3 85 88 A I H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.888 109.6 51.8 -61.2 -37.9 -0.6 11.7 5.6 86 89 A N H X S+ 0 0 86 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.874 108.4 51.6 -65.9 -34.7 3.0 12.6 5.9 87 90 A L H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.890 109.0 50.5 -68.1 -38.0 2.3 14.3 9.2 88 91 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 110.1 49.8 -65.3 -41.2 0.5 11.1 10.4 89 92 A L H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.895 110.7 49.3 -63.1 -41.0 3.6 9.0 9.3 90 93 A E H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.878 110.3 52.0 -64.7 -37.5 5.8 11.4 11.3 91 94 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.894 108.5 49.8 -65.4 -39.8 3.5 11.0 14.2 92 95 A K H X S+ 0 0 15 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.929 109.8 52.4 -64.1 -44.7 3.7 7.2 14.0 93 96 A D H X S+ 0 0 18 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.910 112.0 44.6 -56.2 -46.6 7.5 7.5 13.9 94 97 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.889 109.6 54.6 -67.6 -40.8 7.6 9.7 17.0 95 98 A X H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.894 106.9 52.9 -60.7 -38.9 5.1 7.5 18.9 96 99 A Q H X S+ 0 0 49 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.902 108.5 49.6 -62.9 -41.7 7.4 4.5 18.2 97 100 A E H X S+ 0 0 35 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.901 110.8 50.2 -64.7 -39.0 10.4 6.4 19.7 98 101 A Q H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 3,-0.5 0.957 111.8 47.6 -64.7 -47.1 8.3 7.2 22.8 99 102 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.923 108.5 54.6 -58.3 -47.1 7.3 3.6 23.1 100 103 A D H X S+ 0 0 60 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.796 106.7 52.2 -59.9 -28.3 10.9 2.5 22.7 101 104 A A H ><>S+ 0 0 14 -4,-1.5 5,-2.7 -3,-0.5 3,-1.0 0.948 108.7 49.2 -72.1 -48.9 11.9 4.8 25.6 102 105 A Y H ><5S+ 0 0 22 -4,-2.1 3,-2.4 1,-0.3 -2,-0.2 0.881 103.0 61.5 -57.2 -39.5 9.3 3.3 27.9 103 106 A K H 3<5S+ 0 0 38 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.840 108.8 44.1 -55.5 -31.9 10.5 -0.2 27.0 104 107 A N T <<5S- 0 0 2 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.258 118.7-111.5 -96.5 12.6 13.8 0.8 28.5 105 108 A S T < 5S+ 0 0 83 -3,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.866 79.5 130.6 57.8 35.4 12.3 2.5 31.6 106 109 A E < - 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0 0 61 -2,-0.1 4,-2.3 1,-0.0 3,-0.3 -0.914 50.6 -92.7-149.4 170.0 4.9 -26.0 4.5 463 85 D T H > S+ 0 0 84 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.878 123.6 56.6 -57.2 -39.0 1.2 -25.1 4.1 464 86 D D H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 109.8 44.2 -59.8 -42.5 0.2 -28.0 6.5 465 87 D I H > S+ 0 0 8 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.874 112.6 51.7 -71.1 -36.7 2.4 -26.5 9.3 466 88 D I H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.862 109.0 51.6 -67.9 -33.3 1.2 -23.0 8.6 467 89 D N H X S+ 0 0 93 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.850 107.2 52.4 -70.9 -33.5 -2.4 -24.3 8.8 468 90 D L H X S+ 0 0 18 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.910 109.5 49.9 -67.2 -39.1 -1.6 -26.0 12.2 469 91 D F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 111.6 48.2 -63.9 -42.3 -0.3 -22.6 13.4 470 92 D L H X S+ 0 0 24 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.909 110.6 50.9 -64.2 -42.2 -3.5 -20.9 12.2 471 93 D E H X S+ 0 0 73 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.863 107.4 54.4 -64.2 -34.3 -5.6 -23.5 13.9 472 94 D T H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.937 105.9 51.9 -64.9 -43.0 -3.6 -22.9 17.1 473 95 D K H X S+ 0 0 17 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.912 109.7 49.7 -60.1 -40.3 -4.4 -19.2 16.9 474 96 D D H X S+ 0 0 83 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.924 112.5 46.8 -63.5 -44.5 -8.1 -20.1 16.5 475 97 D I H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.935 112.1 50.5 -63.4 -44.2 -7.9 -22.4 19.6 476 98 D X H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.875 109.0 51.9 -61.5 -38.0 -6.0 -19.8 21.6 477 99 D Q H X S+ 0 0 33 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.925 109.5 49.6 -64.3 -43.1 -8.7 -17.1 20.7 478 100 D E H X S+ 0 0 130 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.853 109.1 53.4 -64.2 -33.7 -11.4 -19.5 21.9 479 101 D Q H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.929 109.5 46.9 -65.7 -46.7 -9.4 -20.0 25.1 480 102 D L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.869 110.2 53.5 -62.0 -39.4 -9.2 -16.2 25.7 481 103 D D H X S+ 0 0 43 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.898 107.5 51.2 -63.5 -39.4 -12.9 -15.9 25.0 482 104 D A H <>S+ 0 0 10 -4,-1.8 5,-3.3 2,-0.2 3,-0.5 0.963 111.7 45.5 -61.3 -54.3 -13.8 -18.6 27.6 483 105 D Y H ><5S+ 0 0 39 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.909 110.1 56.4 -54.2 -44.6 -11.7 -16.9 30.3 484 106 D K H 3<5S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.844 111.8 41.9 -57.1 -37.1 -13.3 -13.6 29.3 485 107 D N T 3<5S- 0 0 93 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.211 116.7-110.5 -98.2 16.6 -16.7 -15.0 29.9 486 108 D S T < 5S+ 0 0 114 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.905 78.4 132.6 55.0 41.9 -15.7 -16.8 33.1 487 109 D E < - 0 0 115 -5,-3.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.855 63.6-100.6-120.4 157.7 -16.2 -20.1 31.2 488 110 D E - 0 0 166 -2,-0.3 3,-0.1 -3,-0.1 -5,-0.0 -0.606 36.3-119.0 -80.7 130.1 -13.9 -23.1 31.0 489 111 D P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 -10,-0.1 -0.330 46.0 -84.1 -64.5 156.4 -11.7 -23.4 27.9 490 112 D D > - 0 0 90 1,-0.2 4,-2.0 -15,-0.1 5,-0.1 -0.464 34.4-160.3 -67.7 113.5 -12.3 -26.5 25.8 491 113 D A H > S+ 0 0 65 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.886 88.4 54.6 -60.6 -40.9 -10.4 -29.5 27.2 492 114 D A H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 109.9 44.2 -63.8 -42.6 -10.6 -31.5 23.9 493 115 D S H > S+ 0 0 43 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.909 111.9 55.9 -68.4 -40.1 -9.1 -28.8 21.7 494 116 D F H X S+ 0 0 28 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.951 112.7 39.4 -54.5 -54.7 -6.4 -28.1 24.3 495 117 D E H X S+ 0 0 127 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.894 115.5 52.8 -65.5 -40.4 -5.3 -31.7 24.3 496 118 D Y H X S+ 0 0 110 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.945 113.2 42.4 -61.0 -47.8 -5.7 -32.1 20.6 497 119 D I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.881 112.2 52.9 -70.5 -36.1 -3.6 -29.0 19.8 498 120 D C H X S+ 0 0 6 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.912 111.8 46.4 -65.5 -41.5 -0.9 -29.8 22.4 499 121 D N H X S+ 0 0 95 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.902 113.3 49.1 -66.3 -40.0 -0.4 -33.3 21.0 500 122 D A H X S+ 0 0 26 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.922 114.5 44.1 -65.6 -44.4 -0.3 -32.0 17.4 501 123 D L H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.861 114.5 50.5 -67.6 -36.7 2.2 -29.3 18.2 502 124 D R H X S+ 0 0 115 -4,-2.1 4,-2.2 -5,-0.3 5,-0.3 0.898 106.5 54.4 -68.7 -41.0 4.3 -31.7 20.3 503 125 D Q H X S+ 0 0 123 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.943 110.3 45.0 -58.3 -52.3 4.4 -34.3 17.5 504 126 D L H X S+ 0 0 35 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.900 112.3 52.3 -59.5 -44.2 5.8 -32.0 14.9 505 127 D A H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.962 111.7 43.1 -58.7 -56.3 8.4 -30.5 17.2 506 128 D L H X S+ 0 0 113 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.864 114.0 55.5 -57.9 -34.3 9.9 -33.8 18.4 507 129 D E H X S+ 0 0 129 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.919 108.5 44.9 -63.9 -46.9 9.7 -34.9 14.7 508 130 D A H < S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 118.4 44.1 -66.5 -36.4 11.7 -31.8 13.5 509 131 D K H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.822 108.3 59.7 -75.8 -32.4 14.2 -32.4 16.3 510 132 D G H < 0 0 66 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.874 360.0 360.0 -63.2 -38.3 14.3 -36.1 15.7 511 133 D E < 0 0 122 -4,-1.7 -2,-0.2 -53,-0.1 -1,-0.2 0.971 360.0 360.0 -65.5 360.0 15.5 -35.5 12.1